1-[2-(4-ethoxy-3-methoxyphenyl)-5-({[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(4-ethoxy-3-methoxyphenyl)-5-({[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2-(4-ethoxy-3-methoxyphenyl)-5-({[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G642-1003 |
| Compound Name: | 1-[2-(4-ethoxy-3-methoxyphenyl)-5-({[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C29 H29 N5 O4 S |
| Smiles: | CCOc1ccc(cc1OC)C1N(C(C)=O)N=C(CSc2nnc(c3ccc(C)cc3)n2c2ccccc2)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4595 |
| logD: | 5.4593 |
| logSw: | -5.4599 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.984 |
| InChI Key: | NQPMZXWGPNUNSD-MUUNZHRXSA-N |